CID 737466

2-(4-chlorobenzenesulfonamido)acetic acid

Structural Information

Molecular Formula
C8H8ClNO4S
SMILES
C1=CC(=CC=C1S(=O)(=O)NCC(=O)O)Cl
InChI
InChI=1S/C8H8ClNO4S/c9-6-1-3-7(4-2-6)15(13,14)10-5-8(11)12/h1-4,10H,5H2,(H,11,12)
InChIKey
LOZHABFZMAUWBU-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)sulfonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

248.98625 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.993526 146.9
[M+Na]+ 271.975468 155.4
[M-H]- 247.978974 149.8
[M+NH4]+ 267.020073 164.3
[M+K]+ 287.949408 151.0
[M+H-H2O]+ 231.983510 142.4
[M+HCOO]- 293.984451 160.3
[M+CH3COO]- 308.000101 186.3
[M+Na-2H]- 269.960916 151.2
[M]+ 248.98570142 150.7
[M]- 248.98679858 150.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe